Hydrochloric Acid → HCID 67442586, compound

HRID 2341658Notes

Reaction equation

HRID 2341658 reaction equation
[CH2:117]1[O:118][CH2:119][CH2:120][O:121][CH2:122]1.[CH3:48][C:49]([CH3:50])([O-:51])[CH3:52].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:7][c:8]1[cH:9][c:10]([N:17]2[CH2:18][CH2:19][CH:20]([S:23](=[O:24])(=[O:25])[CH3:26])[CH2:21][CH2:22]2)[c:11]2[c:12]([n:13]1)[cH:14][cH:15][s:16]2.[ClH:27].[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:28][CH:29]1[CH2:30][N:31]([C:34]([CH2:35][c:36]2[cH:37][cH:38][c:39]([O:42][C:43]([F:44])([F:45])[F:46])[cH:40][cH:41]2)=[O:47])[CH2:32][CH2:33]1.[Na+:53].[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[OH2:60].[Pd:61].[Pd:62]>>[c:8]1([NH:28][CH:29]2[CH2:30][N:31]([C:34]([CH2:35][c:36]3[cH:37][cH:38][c:39]([O:42][C:43]([F:44])([F:45])[F:46])[cH:40][cH:41]3)=[O:47])[CH2:32][CH2:33]2)[cH:9][c:10]([N:17]2[CH2:18][CH2:19][CH:20]([S:23](=[O:24])(=[O:25])[CH3:26])[CH2:21][CH2:22]2)[c:11]2[c:12]([n:13]1)[cH:14][cH:15][s:16]2

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 279461-PyrrolidinamineHCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 57970080HCID 57970080, compoundHCID 674442381-(3-Aminopyrrolidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

Product 1

HCID 67442586HCID 67442586, compound

Sources & evidence

ORD record
ord-f842e2388db1487cab50ddeac377e206
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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